SCHEMBL567028

SCHEMBL567028

O=C1/C(=C\Cl)CSc2sccc21

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.56
MAPK1 P28482 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 5/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
MAOB P27338 1/20 0.34
JAK2 O60674 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
PPARG P37231 1/20 0.32
RAB9A P51151 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
MAPT P10636 1/20 0.32
MIF P14174 1/20 0.31
PTPRC P08575 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL567054 1.00 HPGD (0.63) HPGDL3MBTL1MAPK1CES1ALDH1A1
SCHEMBL567029 1.00 HPGD (0.63) HPGDL3MBTL1MAPK1CES1ALDH1A1
SCHEMBL9594662 0.73 HPGD (0.51) HPGDL3MBTL1MAPK1CES1ALDH1A1
SCHEMBL16138608 0.70 HPGD (0.46) HPGDL3MBTL1MAPK1CES1ALDH1A1
SCHEMBL567151 0.67 KDM4E (0.55) HPGDL3MBTL1CES1ALDH1A1HTT
SCHEMBL565961 0.66 CA12 (0.40) MAPK1CES1MAOBMAPTMIF
SCHEMBL567370 0.66 EPHX2 (0.44) HPGDMAPK1ALDH1A1HTTLMNA
SCHEMBL567073 0.66 EPHX2 (0.44) HPGDMAPK1ALDH1A1HTTLMNA
SCHEMBL567075 0.66 EPHX2 (0.44) HPGDMAPK1ALDH1A1HTTLMNA
SCHEMBL566622 0.66 AURKA (0.44) L3MBTL1MAPK1ALDH1A1MAOBMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423213-B1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF YANG GENGLIANG (CN) 2014-01-08 EP claimed
EP-2423213-A1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF Yang, Gengliang (CN) 2012-02-29 EP claimed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 US claimed
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG GENGLIANG (CN) 2014-10-02 US disclosed
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG GENGLIANG (CN) 2014-10-02 US disclosed
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG GENGLIANG (CN) 2014-10-02 US disclosed
EP-2423213-B1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF YANG GENGLIANG (CN) 2014-01-08 EP disclosed
EP-2423213-B1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF YANG GENGLIANG (CN) 2014-01-08 EP disclosed
EP-2423213-A1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF Yang, Gengliang (CN) 2012-02-29 EP disclosed
EP-2423213-A1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF Yang, Gengliang (CN) 2012-02-29 EP disclosed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 US disclosed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 US disclosed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES MRPL21, NRDC, SOST HPGD 647/4885L3MBTL1 3855/4885MAPK1 3092/4885
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES MRPL21, MCL1, MYC HPGD 1239/4885L3MBTL1 3573/4885MAPK1 2427/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.